| CAS Number | 1310379-36-2 |
| Catalog Number | AG01AOM0(AGN-PC-0WBDC4) |
| Chemical Name | 2-(4-Chloro-1-methyl-1H-pyrazol-5-yl)acetic acid |
| IUPAC Name | 2-(4-chloro-2-methylpyrazol-3-yl)acetic acid |
| InChI | InChI=1S/C6H7ClN2O2/c1-9-5(2-6(10)11)4(7)3-8-9/h3H,2H2,1H3,(H,10,11) |
| InChI Key | KEKJAYNFSZXSDC-UHFFFAOYSA-N |
| MDL Number | MFCD20491505 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | CN1C(CC(O)=O)=C(Cl)C=N1 |
| Synonyms | 1310379-36-2,
2-(4-Chloro-1-methyl-1H-pyrazol-5-yl)acetic acid,
SCHEMBL4361450,
MFCD20491505,
SBB073827,
ZINC72209642,
AKOS015920722,
MCULE-4968904587,
2-(4-chloro-1-methylpyrazol-5-yl)acetic acid,
(4-Chloro-1-methyl-1H-pyrazol-5-yl)acetic acid,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number